COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.667   2.064  -0.179  1.00  0.00           C  
HETATM    2  O   UNL     1       4.813   0.938   0.154  1.00  0.00           O  
HETATM    3  C   UNL     1       3.502   1.070  -0.105  1.00  0.00           C  
HETATM    4  O   UNL     1       3.083   2.092  -0.593  1.00  0.00           O  
HETATM    5  C   UNL     1       2.554  -0.057   0.214  1.00  0.00           C  
HETATM    6  C   UNL     1       2.962  -1.305  -0.572  1.00  0.00           C  
HETATM    7  S   UNL     1       1.821  -2.662  -0.188  1.00  0.00           S  
HETATM    8  N   UNL     1       1.191   0.331  -0.159  1.00  0.00           N  
HETATM    9  C   UNL     1       0.136  -0.243   0.454  1.00  0.00           C  
HETATM   10  O   UNL     1       0.315  -1.081   1.315  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.116   0.114   0.111  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.204  -0.544   0.812  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.521  -0.022   0.299  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.106   1.081   0.894  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.311   1.563   0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.932   0.944  -0.649  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.347  -0.158  -1.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.142  -0.641  -0.769  1.00  0.00           C  
HETATM   19  H   UNL     1       5.598   2.269  -1.247  1.00  0.00           H  
HETATM   20  H   UNL     1       5.345   2.942   0.380  1.00  0.00           H  
HETATM   21  H   UNL     1       6.699   1.826   0.080  1.00  0.00           H  
HETATM   22  H   UNL     1       2.591  -0.272   1.282  1.00  0.00           H  
HETATM   23  H   UNL     1       2.925  -1.090  -1.640  1.00  0.00           H  
HETATM   24  H   UNL     1       3.976  -1.593  -0.294  1.00  0.00           H  
HETATM   25  H   UNL     1       2.293  -3.675  -0.936  1.00  0.00           H  
HETATM   26  H   UNL     1       1.049   1.000  -0.846  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.148  -1.620   0.641  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.123  -0.342   1.880  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.621   1.565   1.728  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.768   2.424   0.885  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.874   1.320  -1.018  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.832  -0.642  -2.078  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.683  -1.500  -1.237  1.00  0.00           H  
CONECT    1    2   19   20   21                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    6    8    3   22                                       
CONECT    6    7    5   23   24                                       
CONECT    7    6   25                                                 
CONECT    8    5    9   26                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   27   28                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   29                                       
CONECT   15   16   16   14   30                                       
CONECT   16   15   15   17   31                                       
CONECT   17   16   18   18   32                                       
CONECT   18   17   17   13   33                                       
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
